RESUMEN

The effects on the geometry structure, atomic charges and vibrational wavenumbers of the main different substituents in the 5th position of the uracil ring were analysed, and relationships were established. The 5-monosubstituted derivatives studied were 5-XU (X=F, Cl, Br, I, CH(3), NH(2), NO(2)). The geometry and vibrational wavenumbers were determined in these molecules. The FT-IR and Raman spectra were studied with the support of B3LYP calculations using several basis sets. Several general conclusions were underlined.

Asunto(s)

Uracilo/análogos & derivados , Uracilo/química , Conformación Molecular , Espectrofotometría Infrarroja , Espectrometría Raman , Vibración

RESUMEN

The L phase of the ternary CTAB/benzyl alcohol/water system that extends from the water corner to the alcohol corner was studied by the sound velocity method which indicated variations in velocity when the aggregate structure changed from normal micelles in water to reverse micelles in the alcohol corner of the phase diagram. From these results it was concluded that the transition from normal to reverse micelles takes place while passing through two different bicontinuous regions, one of them with alcohol micro domains dispersed in water and the other one as a bicontinuous reverse region with the predominance of the water domains dispersed in alcohol. Copyright 1999 Academic Press.